Vitas-M small molecule compound
methyl 2-acetyl-1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Catalog ID
STL511860
SMILES COC(=O)C1Cc2c(C(N1C(=O)C)c1cccc(c1)[N+](=O)[O-])[nH]c1c2cccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H19N3O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5/c1-12(25)23-18(21(26)29-2)11-16-15-8-3-4-9-17(15)22-19(16)20(23)13-6-5-7-14(10-13)24(27)28/h3-10,18,20,22H,11H2,1-2H3InChIKey
KESMRDQTEMEIAJ-UHFFFAOYSA-NSynonyms
(3S)methyl2acetyl1(3nitrophenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylate
3802872
COC(=O)(C@@H)1Cc2c(C(N1C(=O)C)c1cccc(c1)(N+)(=O)(O))(nH)c1c2cccc1
InChI=1SC21H19N3O5c112(25)2318(21(26)292)111615834917(15)2219(16)20(23)1365714(1013)24(27)28h310182022H11H212H3
methyl2acetyl1(3nitrophenyl)1349tetrahydropyrido(34b)indole3carboxylate
methyl2acetyl1(3nitrophenyl)2349tetrahydro1Hbetacarboline3carboxylate
MFCD02185726
ZINC000002095185
ZINC000004046633
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